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Reaction mechanisms for selective hydrogenation of aromatic hydrocarbons to cycloolefins and cycloalkanes over noble metal catalysts were studied at the molecular level. Reactive intermediates were identified by combining experimental IR and Raman spectroscopic measurements with DFT calculations and related to catalytic activity and selectivity differences. Improved catalyst formulations were developed.more » « lessFree, publicly-accessible full text available June 13, 2026
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This work proves the feasibility of utilizing steady state and transient in situ/operando spectroscopy to extract mechanistic information that reduces and leads to robust kinetic models. It also opens new avenues to explore kinetics and mechanisms with charge transfer data in heterogeneous catalysis.more » « lessFree, publicly-accessible full text available June 13, 2026
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